4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide

C21H22N6O — CID 71765095

IUPAC4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
SMILESCC(C)(C)Cc1nc2ccc(-c3cccc4c(N)c(C(N)=O)nnc34)cc2[nH]1
InChIInChI=1S/C21H22N6O/c1-21(2,3)10-16-24-14-8-7-11(9-15(14)25-16)12-5-4-6-13-17(22)19(20(23)28)27-26-18(12)13/h4-9H,10H2,1-3H3,(H2,22,26)(H2,23,28)(H,24,25)
InChIKeyLYKOGOLTDHNHMU-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.44
Rot. Bonds3

About 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide

4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide (PubChem CID 71765095) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
PubChem CID71765095
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
SMILESCC(C)(C)Cc1nc2ccc(-c3cccc4c(N)c(C(N)=O)nnc34)cc2[nH]1
InChIInChI=1S/C21H22N6O/c1-21(2,3)10-16-24-14-8-7-11(9-15(14)25-16)12-5-4-6-13-17(22)19(20(23)28)27-26-18(12)13/h4-9H,10H2,1-3H3,(H2,22,26)(H2,23,28)(H,24,25)
InChIKeyLYKOGOLTDHNHMU-UHFFFAOYSA-N
XLogP3.44
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
CID 71765098
4-amino-8-(2-anilino-3H-benzimidazol-5-yl)cinnoline-3-carboxamide
CID 71765222
4-amino-8-[2-(oxan-3-yl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
CID 71765193
2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 126561262
4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
CID 59791574
4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
CID 59791624
4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide
CID 71765624
2-(2-ethyl-3H-benzimidazol-5-yl)aniline
CID 58381174
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
CID 165456701
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
CID 71765469
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide (CID 71765095) is 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide is CC(C)(C)Cc1nc2ccc(-c3cccc4c(N)c(C(N)=O)nnc34)cc2[nH]1.
What is the InChIKey of 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The InChIKey is LYKOGOLTDHNHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-21(2,3)10-16-24-14-8-7-11(9-15(14)25-16)12-5-4-6-13-17(22)19(20(23)28)27-26-18(12)13/h4-9H,10H2,1-3H3,(H2,22,26)(H2,23,28)(H,24,25).
What are the key properties of 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide is sourced from PubChem (CID 71765095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).